4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=249.4258119256957 stress="-21.75016718317204 -0.42121500177906707 -0.3250550424990682 -0.42121500177906707 -22.270701234318583 2.3432452539137154 -0.3250550424990682 2.3432452539137154 -13.361920219362332" pbc="T T F" Hg 0.05988540 -0.29754255 0.16431082 -50.34250261 111.35907543 -181.56355139 Hg 1.31425730 1.48844065 0.03277713 47.48915174 -40.58488859 -110.97195145 Hg 1.23068471 -0.12633864 1.46097674 61.27507104 48.74416028 121.52015047 Hg 0.00805869 1.71813893 1.26716069 -58.42172017 -119.51834712 171.01535237